ethyl 4-morpholin-4-yl-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-morpholin-4-yl-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-morpholino-3-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-morpholin-4-yl-3-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H29N5O7S MolecularWeight: 543.59206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O7S/c1-2-37-24(32)18-4-5-20(28-7-11-35-12-8-28)19(15-18)26-25(38)27-23(31)17-3-6-21(22(16-17)30(33)34)29-9-13-36-14-10-29/h3-6,15-16H,2,7-14H2,1H3,(H2,26,27,31,38)